1-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CC2(CCCCCC2)C(=O)O)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CC2(CCCCCC2)C(=O)O)C)SC#N

InChI

InChI=1S/C19H24N2O3S/c1-13-9-15(25-12-20)10-14(2)17(13)21-16(22)11-19(18(23)24)7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3,(H,21,22)(H,23,24)